2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole

C17H20N4OS2 — CID 60560207

IUPAC2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole
SMILESCCOc1nnc(CSc2nccn2-c2ccccc2C(C)C)s1
InChIInChI=1S/C17H20N4OS2/c1-4-22-17-20-19-15(24-17)11-23-16-18-9-10-21(16)14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyWSPZVVMWQKFWLF-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.54
Rot. Bonds7

About 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole

2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole (PubChem CID 60560207) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole
PubChem CID60560207
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole
SMILESCCOc1nnc(CSc2nccn2-c2ccccc2C(C)C)s1
InChIInChI=1S/C17H20N4OS2/c1-4-22-17-20-19-15(24-17)11-23-16-18-9-10-21(16)14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3
InChIKeyWSPZVVMWQKFWLF-UHFFFAOYSA-N
XLogP4.54
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 134010479
N-[(4-fluorophenyl)methyl]-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 46593714
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
CID 47024738
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
5-methyl-3-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2-oxazole
CID 134010501
2-(4-methoxyphenyl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 37174877
2-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
CID 60560295
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-[4-oxo-2-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]quinazolin-3-yl]acetamide
CID 24606157
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 24527625
1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
CID 43018705
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
CID 60560348

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole (CID 60560207) is 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole is CCOc1nnc(CSc2nccn2-c2ccccc2C(C)C)s1.
What is the InChIKey of 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole?
The InChIKey is WSPZVVMWQKFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-4-22-17-20-19-15(24-17)11-23-16-18-9-10-21(16)14-8-6-5-7-13(14)12(2)3/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole?
2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole has a molecular weight of 360.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 60560207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).